Menu

(2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one

Formula:C30H21N2OCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one is not a drug-like molecule.
MolName(2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one
MolecularFormulaC30H21N2OCl3S
SmilesO=C(/C(/S1)=C\c(cc2)ccc2Cl)N2C1=NC(/C(/CCC1)=C/c(cccc3)c3Cl)=C1C2c(cccc1)c1Cl
InChIInChI=1S/C30H21Cl3N2OS/c31-21-14-12-18(13-15-21)16-26-29(36)35-28(22-8-2-4-11-25(22)33)23-9-5-7-20(27(23)34-30(35)37-26)17-19-6-1-3-10-24(19)32/h1-4,6,8,10-17,28H,5,7,9H2/t28-/m0/s1
InChIKXNHSIFCLCBAPIM-NDEPHWFRSA-N
TotalMolweight563.935
Molweight563.935
MonoisotopicMass562.044014
CLogP8.379
CLogS-9.185
H Acceptors3
TotalSurfaceArea393.17
Relative PSA0.11595
PolarSurfaceArea57.97
Druglikeness1.2351
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45946
Fragments1
Non HAtoms37
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond3
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms5
Symmetricatoms2
Amides1
StereoConracemate

Request More Details | (2E,9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-2-[(4-chlorophenyl)methylidene]-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazolin-3-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments